CAS RN: 200716-68-3
BENZYLPHOSPHONIC ACID-(AM)2
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250905 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS200716-68-3
- Purity/Analytical Methods: >99.0%
200716-68-3 / [acetyloxymethoxy(benzyl)phosphoryl]oxymethyl acetate
Basic Information
CAS
200716-68-3
Multi CAS
No
Molecular Formula
C13H17O7P
Molecular Weight
316.240000
Exact Mass
316.071190
SMILES
CC(=O)OCOP(=O)(CC1=CC=CC=C1)OCOC(=O)C
InChI
InChI=1S/C13H17O7P/c1-11(14)17-9-19-21(16,20-10-18-12(2)15)8-13-6-4-3-5-7-13/h3-7H,8-10H2,1-2H3
InChIKey
HTYPCSUJWFIDEU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
8
H-bond acceptors
7
Molar refractivity
73.19
TPSA
88.13
LogP / Solubility
WLOGP
2.45
MLOGP
2.17
XLogP3
0.9
Consensus LogP
1.84
Log S (ESOL)
-3.03
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.93
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.71
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.91
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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